3-methyl-N-octan-4-ylpyrazin-2-amine

C13H23N3 — CID 106026404

IUPAC3-methyl-N-octan-4-ylpyrazin-2-amine
SMILESCCCCC(CCC)Nc1nccnc1C
InChIInChI=1S/C13H23N3/c1-4-6-8-12(7-5-2)16-13-11(3)14-9-10-15-13/h9-10,12H,4-8H2,1-3H3,(H,15,16)
InChIKeyHEFJXRHLZDDCAP-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.56
Rot. Bonds7

About 3-methyl-N-octan-4-ylpyrazin-2-amine

3-methyl-N-octan-4-ylpyrazin-2-amine (PubChem CID 106026404) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-methyl-N-octan-4-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-methyl-N-octan-4-ylpyrazin-2-amine
PubChem CID106026404
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-methyl-N-octan-4-ylpyrazin-2-amine
SMILESCCCCC(CCC)Nc1nccnc1C
InChIInChI=1S/C13H23N3/c1-4-6-8-12(7-5-2)16-13-11(3)14-9-10-15-13/h9-10,12H,4-8H2,1-3H3,(H,15,16)
InChIKeyHEFJXRHLZDDCAP-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-octan-4-ylpyrazin-2-amine?
The IUPAC name of 3-methyl-N-octan-4-ylpyrazin-2-amine (CID 106026404) is 3-methyl-N-octan-4-ylpyrazin-2-amine.
What is the SMILES notation for 3-methyl-N-octan-4-ylpyrazin-2-amine?
The canonical SMILES for 3-methyl-N-octan-4-ylpyrazin-2-amine is CCCCC(CCC)Nc1nccnc1C.
What is the InChIKey of 3-methyl-N-octan-4-ylpyrazin-2-amine?
The InChIKey is HEFJXRHLZDDCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-6-8-12(7-5-2)16-13-11(3)14-9-10-15-13/h9-10,12H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-N-octan-4-ylpyrazin-2-amine?
3-methyl-N-octan-4-ylpyrazin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-octan-4-ylpyrazin-2-amine is sourced from PubChem (CID 106026404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).